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The β-sheet breakers – peptide inhibitors of amyloidogenesis: iAβ5 and newly designed iAβ6, containing two and three consecutive phenylalanine residues, respectively, acquired in MD simulations dominantly populated conformations with phenylalanine rings stacked. We postulate that stacking of aromatic rings facilitate anti-amyloidogenic properties of these peptides by targeting them more efficiently to π-stacking and/or other hydrophobic cluster within amyloid fibril. iAβ6 is a promising candidate for a lead compound.

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